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Table 3 Predicted binding energies for constituents present in Cornus capitata docked with α-glucosidase (PDB ID: 3WY1)

From: In vitro evaluation of the α-glucosidase inhibitory potential of methanolic extracts of traditionally used antidiabetic plants

S. No.

Molecules

Binding Energy (kcal/mol)

No. of H-bonds

Cluster RMSD

Reference RMSD

3

Betulinic acid

−10.21

0

0.00

25.81

4

Epibetulin

−9.06

2

0.00

26.10

1

Arjunolic acid

−6.60

2

0.00

26.51

6

Maslinic acid

−5.27

3

0.00

24.01

5

Lupeol

−4.79

2

0.00

26.16

2

Betulin

−4.00

2

0.00

25.71